N-[3-chloranyl-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide

Systemtic Name: N-[3-chloranyl-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide Openeye Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide CAS Name: N-[3-chloro-4-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]propanamide IUPAC Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide Traditional Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]propionamide Formula: C22H27ClN5O+ MolecularWeight: 412.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)Cl

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)Cl

InChI

InChI=1S/C22H26ClN5O/c1-3-22(29)24-16-8-9-19(17(23)14-16)28-12-10-27(11-13-28)15-21-25-18-6-4-5-7-20(18)26(21)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29)/p+1